N-(1-methylpyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(1-methylpyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(1-methylpyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(1-methyl-3-pyrazolyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(1-methylpyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(1-methylpyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C14H16N4S MolecularWeight: 272.36864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=S)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CN1C=CC(=N1)NC(=S)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C14H16N4S/c1-17-8-7-13(16-17)15-14(19)18-9-6-11-4-2-3-5-12(11)10-18/h2-5,7-8H,6,9-10H2,1H3,(H,15,16,19)